Crystallography Open Database

Information card for entry 4031489

Preview

Coordinates	4031489.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C145.43 H137.07 Cl17.36 N18 O3.21 Zn2
Calculated formula	C145.428 H137.07 Cl17.358 N18 O3.214 Zn2
Title of publication	Controllable Synthesis of Covalent Porphyrinic Cages with Varying Sizes via Template-Directed Imine Condensation Reactions.
Authors of publication	Ding, Huimin; Wu, Xiaojun; Zeller, Matthias; Xie, Yunpeng; Wang, Cheng
Journal of publication	The Journal of organic chemistry
Year of publication	2015
Journal volume	80
Journal issue	18
Pages of publication	9360 - 9364
a	14.36 ± 0.003 Å
b	14.521 ± 0.003 Å
c	18.49 ± 0.004 Å
α	96.865 ± 0.006°
β	102.787 ± 0.006°
γ	103.857 ± 0.005°
Cell volume	3589.4 ± 1.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.2515
Residual factor for significantly intense reflections	0.099
Weighted residual factors for significantly intense reflections	0.1919
Weighted residual factors for all reflections included in the refinement	0.2415
Goodness-of-fit parameter for all reflections included in the refinement	1.006
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
160549 (current)	2015-10-06	cif/ Updating files of 4031489, 4031490 Original log message: Adding full bibliography for 4031489--4031490.cif.	4031489.cif
155851	2015-09-11	cif/ Adding structures of 4031489 via cif-deposit CGI script.	4031489.cif